==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 18-JUL-10 3NZZ . COMPND 2 MOLECULE: CELL INVASION PROTEIN SIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR S.CHATTERJEE,D.ZHONG,B.A.NORDHUES,K.P.BATTAILE,S.LOVELL,R.N. . 563 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 2 2 2 0 0 3 1 1 0 0 0 0 2 2 1 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 36 A G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.4 1.9 -21.9 -0.9 2 37 A H + 0 0 161 2,-0.1 2,-0.5 0, 0.0 0, 0.0 0.601 360.0 86.6 -94.2 -18.1 0.8 -22.3 -4.5 3 38 A M - 0 0 132 2,-0.0 2,-0.1 345,-0.0 342,-0.0 -0.772 68.5-146.1 -93.0 125.9 -1.5 -25.3 -4.2 4 39 A E - 0 0 120 -2,-0.5 3,-0.1 341,-0.1 -2,-0.1 -0.399 14.6-165.9 -85.5 163.8 -5.1 -24.7 -3.2 5 40 A H > + 0 0 74 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.397 24.5 155.0-146.2 61.3 -7.3 -26.8 -1.1 6 41 A R H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.856 71.1 59.7 -55.1 -40.7 -10.8 -25.5 -1.6 7 42 A G H > S+ 0 0 8 342,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.939 109.0 41.4 -60.3 -47.2 -12.5 -28.8 -0.7 8 43 A T H > S+ 0 0 22 341,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.869 113.0 54.2 -72.3 -33.2 -11.0 -28.9 2.7 9 44 A D H X S+ 0 0 15 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.915 108.7 50.6 -62.3 -43.1 -11.7 -25.2 3.3 10 45 A I H X S+ 0 0 34 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.917 112.7 45.7 -62.1 -43.7 -15.4 -25.7 2.4 11 46 A I H X S+ 0 0 7 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.951 115.7 45.5 -64.7 -46.6 -15.7 -28.6 4.8 12 47 A S H X S+ 0 0 20 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.921 116.0 45.0 -65.2 -43.9 -13.9 -26.8 7.6 13 48 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.919 113.4 50.2 -66.6 -44.7 -15.8 -23.5 7.1 14 49 A S H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.898 109.3 52.4 -57.0 -45.8 -19.2 -25.3 6.8 15 50 A Q H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.941 112.5 44.6 -57.5 -48.4 -18.4 -27.3 10.0 16 51 A A H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.923 111.3 52.9 -63.4 -47.9 -17.7 -24.1 11.9 17 52 A A H X S+ 0 0 15 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.908 110.3 49.8 -52.7 -43.7 -20.8 -22.3 10.4 18 53 A T H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.949 111.8 45.4 -65.1 -47.8 -23.0 -25.2 11.6 19 54 A K H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.879 114.5 49.3 -65.1 -36.0 -21.7 -25.3 15.2 20 55 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.947 111.4 49.0 -70.3 -45.3 -21.9 -21.5 15.4 21 56 A H H X S+ 0 0 99 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.883 110.7 50.9 -58.5 -40.2 -25.5 -21.5 14.1 22 57 A Q H X S+ 0 0 34 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.937 111.5 46.8 -65.3 -44.8 -26.5 -24.3 16.6 23 58 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 112.0 51.9 -62.1 -42.0 -25.1 -22.4 19.5 24 59 A Q H X S+ 0 0 38 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 106.2 53.5 -61.7 -41.3 -26.8 -19.2 18.3 25 60 A Q H X S+ 0 0 118 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.926 111.2 47.2 -59.8 -43.8 -30.2 -21.1 18.1 26 61 A T H X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.920 112.1 48.4 -61.6 -46.3 -29.8 -22.2 21.7 27 62 A L H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.751 115.1 45.5 -72.1 -23.8 -28.8 -18.7 22.9 28 63 A Q H < S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.660 122.0 34.7 -88.6 -17.1 -31.8 -17.1 21.1 29 64 A S H < S+ 0 0 64 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.738 98.0 80.4-109.1 -24.2 -34.4 -19.6 22.2 30 65 A T < - 0 0 20 -4,-2.4 -1,-0.1 -5,-0.2 -4,-0.0 -0.730 69.9-141.7 -96.9 109.8 -33.5 -20.7 25.7 31 66 A P - 0 0 63 0, 0.0 2,-2.0 0, 0.0 3,-0.3 -0.481 16.6-125.2 -73.9 145.8 -34.5 -18.4 28.5 32 67 A P S S+ 0 0 7 0, 0.0 71,-0.1 0, 0.0 3,-0.0 -0.324 73.7 118.1 -83.5 58.7 -32.0 -18.0 31.4 33 68 A I + 0 0 67 -2,-2.0 2,-0.3 69,-0.1 3,-0.1 0.360 67.7 27.3-110.1 2.9 -34.7 -18.9 34.0 34 69 A S S > S- 0 0 32 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.974 77.7-108.6-157.3 163.9 -33.3 -22.0 35.7 35 70 A E H > S+ 0 0 158 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 119.9 52.7 -62.5 -44.8 -30.1 -23.8 36.4 36 71 A E H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 110.5 47.0 -56.2 -46.4 -30.9 -26.5 33.8 37 72 A N H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.2 49.9 -66.3 -43.0 -31.5 -23.8 31.1 38 73 A N H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.833 106.0 55.9 -65.9 -31.7 -28.3 -21.9 32.0 39 74 A D H X S+ 0 0 97 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.910 108.2 49.5 -61.8 -42.1 -26.3 -25.2 31.8 40 75 A E H X S+ 0 0 88 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.880 112.2 47.8 -62.7 -40.5 -27.6 -25.6 28.2 41 76 A R H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 111.3 49.3 -67.1 -45.0 -26.6 -22.0 27.4 42 77 A T H X S+ 0 0 64 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.904 111.3 50.7 -61.3 -41.1 -23.1 -22.4 28.9 43 78 A L H X S+ 0 0 72 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 105.7 55.7 -64.4 -41.8 -22.7 -25.6 26.9 44 79 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 108.2 48.2 -57.5 -41.5 -23.8 -23.8 23.7 45 80 A R H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.867 109.2 52.9 -66.8 -36.4 -21.0 -21.3 24.3 46 81 A Q H X S+ 0 0 117 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.896 108.5 51.1 -61.0 -40.6 -18.5 -24.1 24.9 47 82 A Q H X S+ 0 0 70 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 111.0 48.2 -67.8 -36.5 -19.5 -25.6 21.6 48 83 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.951 111.8 48.8 -66.4 -48.7 -19.0 -22.3 19.9 49 84 A T H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.941 111.0 50.4 -58.3 -45.9 -15.5 -21.8 21.5 50 85 A S H X S+ 0 0 63 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.896 106.8 55.2 -60.3 -38.8 -14.5 -25.3 20.5 51 86 A S H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.861 108.8 47.1 -62.8 -36.1 -15.6 -24.7 16.9 52 87 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.3 -1,-0.2 0.878 109.0 54.5 -75.3 -38.3 -13.4 -21.6 16.7 53 88 A N H X S+ 0 0 56 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.908 111.6 45.4 -52.7 -46.8 -10.5 -23.5 18.2 54 89 A A H X S+ 0 0 64 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.910 112.1 51.0 -68.5 -40.3 -10.9 -26.2 15.4 55 90 A L H ><>S+ 0 0 4 -4,-2.2 3,-0.9 1,-0.2 5,-0.6 0.876 103.6 58.6 -64.7 -37.5 -11.3 -23.5 12.7 56 91 A A H ><5S+ 0 0 6 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.839 108.1 46.7 -56.6 -37.1 -8.0 -21.8 13.9 57 92 A K H 3<5S+ 0 0 173 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.571 95.3 79.0 -83.7 -12.0 -6.1 -25.1 13.2 58 93 A S T <<5S- 0 0 32 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.600 91.3-131.0 -79.7 -14.7 -7.7 -25.7 9.8 59 94 A G T < 5 + 0 0 49 -3,-0.5 2,-0.2 -4,-0.4 -3,-0.1 0.765 44.7 160.8 69.6 25.2 -5.6 -23.2 7.7 60 95 A V < - 0 0 22 -5,-0.6 2,-0.4 -52,-0.1 -1,-0.2 -0.546 40.2-117.2 -70.5 145.4 -8.4 -21.5 6.0 61 96 A S - 0 0 85 -2,-0.2 2,-0.4 217,-0.1 -1,-0.1 -0.697 21.4-154.8 -93.7 137.6 -7.2 -18.2 4.6 62 97 A L - 0 0 40 -2,-0.4 2,-0.1 4,-0.0 212,-0.0 -0.897 16.5-128.6-105.3 139.1 -8.6 -14.8 5.7 63 98 A S > - 0 0 58 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.371 32.1-103.3 -72.6 162.8 -8.5 -11.7 3.4 64 99 A A H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 124.2 51.0 -52.2 -42.1 -7.0 -8.4 4.8 65 100 A E H > S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 110.7 45.9 -66.6 -42.5 -10.6 -7.1 5.2 66 101 A Q H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 112.2 52.6 -64.8 -44.5 -11.8 -10.2 7.1 67 102 A N H X S+ 0 0 42 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.920 111.4 46.5 -51.6 -49.1 -8.7 -10.0 9.3 68 103 A E H X S+ 0 0 94 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.902 108.7 54.6 -65.1 -45.8 -9.5 -6.4 10.0 69 104 A N H X S+ 0 0 73 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 111.9 45.4 -49.3 -47.4 -13.2 -7.1 10.7 70 105 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 112.9 48.2 -69.1 -45.3 -12.1 -9.7 13.3 71 106 A R H < S+ 0 0 101 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.933 115.7 45.7 -57.8 -48.4 -9.4 -7.5 15.0 72 107 A S H >< S+ 0 0 69 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.898 117.0 42.9 -62.2 -44.5 -11.9 -4.6 15.2 73 108 A A H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.860 119.7 41.3 -71.6 -37.0 -14.8 -6.6 16.5 74 109 A F T 3< 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.079 360.0 360.0-107.6 24.1 -12.8 -8.7 19.0 75 110 A S < 0 0 124 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.656 360.0 360.0 -80.1 360.0 -10.5 -6.0 20.5 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 132 A A > 0 0 68 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.8 -4.5 -19.2 13.4 78 133 A E H > + 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.884 360.0 50.4 -57.3 -45.3 -3.4 -16.3 15.6 79 134 A I H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 109.7 50.2 -63.4 -44.1 -6.4 -14.2 14.8 80 135 A W H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.811 108.3 52.9 -66.4 -31.8 -8.9 -17.0 15.5 81 136 A D H X S+ 0 0 65 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.876 110.0 48.0 -70.7 -38.8 -7.2 -17.7 18.9 82 137 A M H X S+ 0 0 69 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.937 113.0 48.6 -63.2 -47.8 -7.6 -14.1 19.9 83 138 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.938 111.3 49.8 -56.5 -49.9 -11.2 -14.2 18.8 84 139 A S H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.902 113.0 47.0 -57.6 -43.4 -11.9 -17.4 20.7 85 140 A Q H X S+ 0 0 145 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 114.1 46.8 -61.8 -47.5 -10.3 -15.8 23.9 86 141 A N H X S+ 0 0 42 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.914 114.8 43.5 -64.8 -49.2 -12.2 -12.6 23.6 87 142 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.866 111.3 56.7 -67.8 -33.4 -15.6 -14.1 23.0 88 143 A S H X S+ 0 0 24 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.904 106.5 49.7 -60.7 -43.8 -15.0 -16.7 25.7 89 144 A A H X S+ 0 0 51 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.930 111.0 48.5 -60.6 -46.6 -14.4 -13.9 28.3 90 145 A I H X>S+ 0 0 37 -4,-1.9 5,-2.7 1,-0.2 4,-1.4 0.925 112.8 49.2 -61.7 -44.0 -17.5 -12.1 27.3 91 146 A G H <>S+ 0 0 1 -4,-2.5 5,-2.3 3,-0.2 -2,-0.2 0.930 121.3 32.7 -59.3 -45.2 -19.6 -15.3 27.6 92 147 A D H <5S+ 0 0 103 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.902 127.0 34.8 -79.9 -45.9 -18.2 -16.3 31.0 93 148 A S H <5S+ 0 0 82 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.572 133.7 15.9 -93.2 -15.5 -17.6 -13.0 32.8 94 149 A Y T X5S+ 0 0 68 -4,-1.4 4,-2.2 -5,-0.4 3,-0.2 0.601 129.4 36.7-123.0 -67.4 -20.5 -10.9 31.4 95 150 A L H > S+ 0 0 9 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.951 109.5 50.3 -67.7 -47.1 -23.3 -13.4 35.2 98 153 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.887 107.3 54.1 -56.5 -39.3 -26.5 -12.0 33.6 99 154 A E H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 109.7 47.1 -61.1 -42.9 -27.9 -15.4 33.2 100 155 A N H X S+ 0 0 30 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.890 108.6 56.2 -64.4 -40.0 -27.4 -16.1 36.9 101 156 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.943 110.8 43.8 -57.1 -47.0 -28.9 -12.8 37.8 102 157 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 113.6 48.8 -68.6 -44.2 -32.1 -13.7 35.9 103 158 A A H X S+ 0 0 10 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.937 114.6 45.4 -63.4 -44.5 -32.4 -17.2 37.1 104 159 A V H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.949 116.0 45.6 -62.8 -47.3 -31.9 -16.2 40.8 105 160 A Y H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.838 106.8 61.3 -64.7 -34.8 -34.3 -13.2 40.5 106 161 A T H X S+ 0 0 43 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.933 108.5 40.6 -53.7 -51.9 -36.9 -15.4 38.7 107 162 A D H X S+ 0 0 97 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.845 114.8 52.4 -70.6 -35.6 -37.2 -17.8 41.6 108 163 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.952 111.3 46.9 -60.5 -49.0 -37.2 -15.0 44.2 109 164 A Y H X S+ 0 0 28 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.873 108.3 55.6 -69.4 -34.6 -40.0 -13.1 42.3 110 165 A Q H X S+ 0 0 104 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.909 105.2 53.0 -57.2 -43.5 -42.0 -16.4 42.0 111 166 A A H X S+ 0 0 22 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.913 111.0 46.8 -59.0 -40.8 -41.8 -16.7 45.8 112 167 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.3 0.917 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-72.8 -80.7-165.4 -57.2 -6.8 67.4 221 276 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.729 132.6 54.8 -67.8 -23.3 -57.6 -9.9 69.6 222 277 A D T 3 S- 0 0 56 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.331 117.6-110.9 -90.4 5.6 -57.9 -12.2 66.5 223 278 A S S < S+ 0 0 58 -3,-1.6 -86,-1.0 1,-0.3 2,-0.2 0.376 87.6 108.1 75.6 0.2 -54.5 -10.9 65.1 224 279 A K - 0 0 62 -89,-0.2 -4,-3.4 -88,-0.2 2,-0.5 -0.597 65.9-127.8-104.1 164.5 -56.5 -9.1 62.3 225 280 A L E -B 134 0A 20 -91,-2.9 -91,-2.8 -6,-0.2 2,-0.3 -0.949 8.0-146.3-122.4 117.3 -57.1 -5.4 61.8 226 281 A E E +B 133 0A 86 -2,-0.5 2,-0.3 -93,-0.2 -93,-0.2 -0.631 29.2 179.8 -74.2 134.9 -60.5 -3.8 61.2 227 282 A M E -B 132 0A 4 -95,-2.6 -95,-3.0 -2,-0.3 2,-0.1 -0.998 32.4-113.2-142.6 139.9 -60.2 -0.8 58.9 228 283 A D E > -B 131 0A 85 -2,-0.3 4,-2.1 -97,-0.2 3,-0.3 -0.398 40.7-111.6 -63.7 147.6 -62.5 1.8 57.3 229 284 A N H > S+ 0 0 74 -99,-2.7 4,-2.7 1,-0.2 5,-0.2 0.883 116.1 53.5 -52.7 -44.6 -62.6 1.4 53.5 230 285 A A H > S+ 0 0 62 -100,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.902 110.4 47.6 -58.3 -43.4 -60.7 4.7 52.7 231 286 A K H > S+ 0 0 77 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 111.9 49.7 -63.9 -39.4 -57.8 3.6 55.0 232 287 A Y H X S+ 0 0 18 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.925 111.2 49.5 -66.1 -44.5 -57.7 0.2 53.4 233 288 A Q H X S+ 0 0 95 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.905 110.7 49.1 -61.4 -43.6 -57.7 1.7 49.9 234 289 A A H X S+ 0 0 63 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 113.3 47.3 -64.6 -40.6 -54.9 4.1 50.9 235 290 A W H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.2 53.1 -63.9 -43.6 -52.9 1.2 52.3 236 291 A Q H X S+ 0 0 58 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.881 106.1 53.2 -61.2 -38.8 -53.6 -1.0 49.2 237 292 A S H X S+ 0 0 73 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 110.2 47.8 -62.6 -43.1 -52.3 1.8 46.9 238 293 A G H X S+ 0 0 26 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.865 111.0 50.7 -63.9 -39.6 -49.0 1.9 49.0 239 294 A F H >X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 3,-0.6 0.947 109.9 49.8 -64.9 -48.2 -48.6 -1.9 48.8 240 295 A K H 3X S+ 0 0 109 -4,-2.7 4,-2.9 1,-0.3 -2,-0.2 0.880 105.2 58.2 -56.7 -42.6 -49.1 -1.9 45.0 241 296 A A H 3X S+ 0 0 46 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.844 108.2 46.4 -53.6 -40.6 -46.5 0.8 44.7 242 297 A Q H X S+ 0 0 125 -4,-2.0 4,-1.0 1,-0.2 3,-0.5 0.923 108.6 53.4 -62.0 -43.8 -17.9 -17.7 -1.1 281 336 A T H >< S+ 0 0 82 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.932 108.3 49.2 -56.6 -44.9 -14.2 -17.2 -1.7 282 337 A A H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.741 116.6 43.3 -65.7 -26.5 -13.6 -21.0 -1.7 283 338 A K H << S+ 0 0 115 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.484 97.5 92.9 -96.4 -6.7 -16.5 -21.4 -4.1 284 339 A S << - 0 0 65 -4,-1.0 2,-0.5 -3,-0.9 -4,-0.0 -0.714 53.2-164.9 -99.1 139.3 -15.7 -18.5 -6.4 285 340 A F - 0 0 132 -2,-0.3 2,-0.4 0, 0.0 -3,-0.0 -0.969 16.6-139.7-126.2 115.1 -13.6 -18.8 -9.6 286 341 A L 0 0 183 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.636 360.0 360.0 -77.7 123.8 -12.2 -15.5 -11.1 287 342 A Q 0 0 238 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.239 360.0 360.0 -87.7 360.0 -12.5 -15.7 -14.9 288 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 289 47 B S > 0 0 68 0, 0.0 4,-1.5 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 -61.7 -13.3 -44.6 -21.9 290 48 B L H > + 0 0 23 2,-0.2 4,-2.7 1,-0.1 5,-0.1 0.789 360.0 54.5 -71.6 -33.5 -14.2 -41.1 -20.6 291 49 B S H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.887 106.2 49.2 -70.3 -42.9 -17.6 -41.6 -22.1 292 50 B Q H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 114.5 46.9 -61.0 -44.0 -18.2 -44.8 -20.2 293 51 B A H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.925 110.5 52.2 -58.9 -48.8 -17.1 -43.0 -17.0 294 52 B A H X S+ 0 0 30 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.828 110.9 46.9 -60.2 -35.9 -19.3 -40.0 -17.8 295 53 B T H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.920 112.5 48.2 -75.0 -45.0 -22.5 -42.1 -18.3 296 54 B K H X S+ 0 0 85 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.861 112.8 49.1 -66.8 -35.5 -21.9 -44.2 -15.1 297 55 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.918 109.5 51.4 -65.3 -45.3 -21.3 -41.0 -13.0 298 56 B H H X S+ 0 0 82 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.914 112.6 47.6 -59.3 -41.6 -24.5 -39.4 -14.4 299 57 B Q H X S+ 0 0 69 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 111.7 47.8 -63.0 -51.0 -26.4 -42.6 -13.5 300 58 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 112.4 52.1 -53.7 -45.2 -24.9 -42.8 -9.9 301 59 B Q H X S+ 0 0 31 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.879 104.9 53.6 -62.4 -42.1 -25.8 -39.0 -9.6 302 60 B Q H X S+ 0 0 96 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.885 109.2 49.7 -60.8 -40.1 -29.4 -39.5 -10.6 303 61 B T H >X S+ 0 0 31 -4,-1.7 4,-2.2 1,-0.2 3,-0.7 0.934 110.7 49.1 -62.9 -48.2 -29.9 -42.2 -7.9 304 62 B L H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.772 111.9 48.6 -66.2 -27.3 -28.3 -40.0 -5.2 305 63 B Q H 3< S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.703 122.8 31.4 -85.3 -16.5 -30.5 -37.0 -6.1 306 64 B S H << S+ 0 0 88 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.581 96.4 84.2-116.8 -15.6 -33.7 -39.0 -6.2 307 65 B T < - 0 0 15 -4,-2.2 -1,-0.1 -5,-0.1 -4,-0.0 -0.821 69.5-141.5-100.3 109.5 -33.5 -41.8 -3.6 308 66 B P - 0 0 68 0, 0.0 2,-1.9 0, 0.0 3,-0.4 -0.421 15.3-126.2 -73.4 143.1 -34.4 -40.7 -0.1 309 67 B P S S+ 0 0 8 0, 0.0 79,-0.1 0, 0.0 3,-0.0 -0.296 74.3 118.0 -83.4 54.7 -32.3 -42.3 2.7 310 68 B I + 0 0 71 -2,-1.9 2,-0.3 78,-0.1 3,-0.1 0.362 68.0 31.3-109.6 3.4 -35.4 -43.5 4.5 311 69 B S S > S- 0 0 22 -3,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.987 77.2-111.1-150.6 162.2 -34.9 -47.3 4.5 312 70 B E H > S+ 0 0 116 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.935 119.5 51.0 -54.8 -46.9 -32.2 -50.0 4.5 313 71 B E H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 111.3 46.5 -61.9 -42.3 -33.1 -50.9 0.9 314 72 B N H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.9 49.8 -66.7 -43.1 -32.9 -47.3 -0.3 315 73 B N H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.886 107.2 54.4 -65.4 -36.0 -29.6 -46.8 1.5 316 74 B D H X S+ 0 0 82 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.923 109.2 48.8 -58.5 -44.6 -28.2 -50.0 -0.1 317 75 B E H X S+ 0 0 96 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.885 111.4 49.5 -63.3 -41.5 -29.1 -48.5 -3.5 318 76 B R H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 111.0 49.2 -62.3 -45.9 -27.4 -45.3 -2.6 319 77 B T H X S+ 0 0 44 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.909 112.1 48.6 -61.5 -43.5 -24.2 -47.2 -1.4 320 78 B L H X S+ 0 0 108 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.879 106.0 57.5 -67.1 -34.5 -24.2 -49.2 -4.7 321 79 B A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.929 108.9 46.0 -57.1 -45.2 -24.6 -46.0 -6.7 322 80 B R H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.853 109.0 54.7 -68.2 -33.4 -21.4 -44.6 -5.1 323 81 B Q H X S+ 0 0 98 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.890 106.3 52.3 -65.2 -38.3 -19.6 -48.0 -5.7 324 82 B Q H X S+ 0 0 60 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.887 111.1 48.7 -59.6 -43.1 -20.6 -47.6 -9.4 325 83 B L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.947 111.8 46.2 -64.5 -48.6 -19.0 -44.2 -9.3 326 84 B T H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.845 109.8 55.3 -66.0 -31.7 -15.8 -45.3 -7.6 327 85 B S H X S+ 0 0 63 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.884 106.2 51.0 -67.3 -40.5 -15.4 -48.3 -10.0 328 86 B S H X S+ 0 0 10 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.920 110.5 49.1 -60.1 -46.5 -15.6 -45.9 -12.9 329 87 B L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.909 110.5 50.1 -60.6 -43.5 -12.9 -43.8 -11.3 330 88 B N H X S+ 0 0 81 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.780 109.5 53.6 -62.2 -27.9 -10.8 -46.9 -10.8 331 89 B A H X S+ 0 0 33 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.889 106.3 49.9 -75.3 -41.3 -11.4 -47.8 -14.5 332 90 B L H < S+ 0 0 2 -4,-2.3 5,-0.2 1,-0.2 -2,-0.2 0.809 109.9 54.0 -61.9 -31.1 -10.1 -44.4 -15.7 333 91 B A H < S+ 0 0 18 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.870 107.8 46.5 -73.6 -40.1 -7.0 -45.0 -13.5 334 92 B K H < S+ 0 0 181 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.911 109.5 69.6 -65.8 -42.4 -6.2 -48.4 -15.1 335 93 B S S < S- 0 0 41 -4,-2.3 -3,-0.0 -5,-0.1 0, 0.0 -0.234 97.5-115.8 -67.0 163.2 -6.8 -46.6 -18.4 336 94 B G + 0 0 64 26,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.537 59.1 144.8 -83.5 -5.8 -4.2 -44.1 -19.6 337 95 B V - 0 0 29 -5,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.066 27.0-176.7 -47.7 102.8 -6.5 -41.0 -19.5 338 96 B S - 0 0 96 225,-0.1 2,-0.3 26,-0.0 -1,-0.1 -0.621 9.7-146.9 -97.4 161.5 -4.2 -38.2 -18.4 339 97 B L - 0 0 23 -2,-0.2 25,-0.0 23,-0.2 220,-0.0 -0.782 27.0 -86.6-122.3 166.2 -5.3 -34.6 -17.8 340 98 B S > - 0 0 55 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.327 43.4-111.2 -65.1 157.6 -3.8 -31.1 -18.2 341 99 B A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.837 120.2 55.0 -62.7 -32.1 -1.8 -29.9 -15.2 342 100 B E H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 108.8 46.2 -68.2 -40.9 -4.5 -27.3 -14.5 343 101 B Q H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 112.3 50.7 -66.6 -45.1 -7.2 -30.0 -14.4 344 102 B N H X S+ 0 0 25 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 112.6 48.0 -52.1 -47.1 -5.0 -32.1 -12.1 345 103 B E H X S+ 0 0 119 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 109.5 51.7 -64.1 -45.7 -4.6 -29.0 -10.0 346 104 B N H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 113.2 45.1 -56.7 -44.6 -8.4 -28.4 -9.9 347 105 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.885 109.9 53.1 -71.6 -39.9 -9.1 -31.9 -8.8 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